| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: Phenoxazine Phenoxazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 135-67-1 , [135-67-1]
10H-Phenoxazine; AI3-09023; EINECS 205-210-8; LS-183960; NSC 72990; Phenazoxine; Phenoxazine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.37 | 0.09 | -7.16 | 1 | 2 | 0 | 28 | 183.21 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 154 | TCI |
| Mp [°C] | 154 - 159 | Acros Organics |
| Melting_Point | 154-158? | Alfa-Aesar |
| Melting_Point | 154-158° | Alfa-Aesar |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-4-E | Arachidonate 5-lipoxygenase (cluster #4 Of 6), Eukaryotic | Eukaryotes | 320 | 0.65 | Binding ≤ 10μM |
| PGH1-2-E | Cyclooxygenase-1 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 350 | 0.65 | Binding ≤ 10μM |
| PGH2-2-E | Cyclooxygenase-2 (cluster #2 Of 8), Eukaryotic | Eukaryotes | 350 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 320 | 0.65 | Binding ≤ 1μM |
| LOX5_HUMAN | P09917 | Arachidonate 5-lipoxygenase, Human | 20 | 0.77 | Binding ≤ 1μM |
| PGH1_RAT | Q63921 | Cyclooxygenase-1, Rat | 350 | 0.65 | Binding ≤ 1μM |
| PGH2_RAT | P35355 | Cyclooxygenase-2, Rat | 350 | 0.65 | Binding ≤ 1μM |
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 320 | 0.65 | Binding ≤ 10μM |
| LOX5_HUMAN | P09917 | Arachidonate 5-lipoxygenase, Human | 20 | 0.77 | Binding ≤ 10μM |
| PGH1_RAT | Q63921 | Cyclooxygenase-1, Rat | 350 | 0.65 | Binding ≤ 10μM |
| PGH2_RAT | P35355 | Cyclooxygenase-2, Rat | 350 | 0.65 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Nicotinamide salvaging | |
| Synthesis of 15-eicosatetraenoic acid derivatives | |
| Synthesis of 5-eicosatetraenoic acids | |
| Synthesis of Leukotrienes (LT) and Eoxins (EX) | |
| Synthesis of Lipoxins (LX) | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
